MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ga6Ti4 0 -40.156 'P4/m' 83 MatHub3d-49204-Ga6Ti4 Band
Ga6Ti10 0 -70.818 'P6_3/mcm' 193 MatHub3d-49206-Ga6Ti10 Band
Ga8Ti10 0 -77.307 'P6_3/mcm' 193 MatHub3d-49295-Ga8Ti10 Band
As8O24Zn12 3.709 -230.566 'Pbam' 55 MatHub3d-6872-As8O24Zn12 Transport
C7K4N7O2V1 0.551 -147.200 'C2' 5 MatHub3d-21097-C7K4N7O2V1 Band
Ga6Ti4Zr6 0 -95.460 'P6_3/mcm' 193 MatHub3d-49205-Ga6Ti4Zr6 Band
Ga8U8 0 -110.829 'Cmcm' 63 MatHub3d-49296-Ga8U8 Band
Au3Gd3In3 0 -31.085 'P-62m' 189 MatHub3d-7935-Au3Gd3In3 Band
Ga2U1 0 -17.119 'P6/mmm' 191 MatHub3d-48892-Ga2U1 Band
Ga3U1 0 -20.677 'Pm-3m' 221 MatHub3d-48941-Ga3U1 Band
Ga10U6 0 -98.405 'Cmcm' 63 MatHub3d-49322-Ga10U6 Band
Ga2V6 0 -44.445 'Pm-3n' 223 MatHub3d-48893-Ga2V6 Band
Ga10V4 0 -57.171 'P4/mbm' 127 MatHub3d-49323-Ga10V4 Band
Ga2Y2 0 -21.152 'Cmcm' 63 MatHub3d-48895-Ga2Y2 Band
Ga2Y1 0 -14.128 'P6/mmm' 191 MatHub3d-48894-Ga2Y1 Band
Ga12Y2 0 -51.767 'P4/nbm' 125 MatHub3d-49370-Ga12Y2 Band
Ga1Yb1 0.047 -5.299 'P4/mmm' 123 MatHub3d-48744-Ga1Yb1 Band
Ga4Zr4 0 -50.605 'I4_1/amd' 141 MatHub3d-49132-Ga4Zr4 Band
Ga4Zr2 0 -31.960 'Cmmm' 65 MatHub3d-49131-Ga4Zr2 Band
Ga4Zr6 0 -68.018 'P4/mbm' 127 MatHub3d-49133-Ga4Zr6 Band
Ga3Zr1 0 -19.103 'I4/mmm' 139 MatHub3d-48944-Ga3Zr1 Band
Ga6Zr4 0 -57.557 'Fdd2' 43 MatHub3d-49210-Ga6Zr4 Band
Gd1 0 -4.455 'Im-3m' 229 MatHub3d-49493-Gd1 Band
Gd1Hg1 0 -5.752 'Pm-3m' 221 MatHub3d-49501-Gd1Hg1 Band
Gd1In1 0 -8.003 'Pm-3m' 221 MatHub3d-49505-Gd1In1 Band